(2R)-2-amino-N-[1-(2-methylpropylsulfonyl)piperidin-4-yl]propanamide

C12H25N3O3S — CID 120874179

IUPAC(2R)-2-amino-N-[1-(2-methylpropylsulfonyl)piperidin-4-yl]propanamide
SMILESCC(C)CS(=O)(=O)N1CCC(NC(=O)[C@@H](C)N)CC1
InChIInChI=1S/C12H25N3O3S/c1-9(2)8-19(17,18)15-6-4-11(5-7-15)14-12(16)10(3)13/h9-11H,4-8,13H2,1-3H3,(H,14,16)/t10-/m1/s1
InChIKeyJQRSJTHWDYKDBS-SNVBAGLBSA-N
MW291.42 g/mol
LogP-0.10
Rot. Bonds5

About (2R)-2-amino-N-[1-(2-methylpropylsulfonyl)piperidin-4-yl]propanamide

(2R)-2-amino-N-[1-(2-methylpropylsulfonyl)piperidin-4-yl]propanamide (PubChem CID 120874179) has the molecular formula C12H25N3O3S and a molecular weight of 291.42 g/mol. Its IUPAC name is (2R)-2-amino-N-[1-(2-methylpropylsulfonyl)piperidin-4-yl]propanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[1-(2-methylpropylsulfonyl)piperidin-4-yl]propanamide
PubChem CID120874179
Molecular FormulaC12H25N3O3S
Molecular Weight291.42 g/mol
Exact Mass291.16
IUPAC Name(2R)-2-amino-N-[1-(2-methylpropylsulfonyl)piperidin-4-yl]propanamide
SMILESCC(C)CS(=O)(=O)N1CCC(NC(=O)[C@@H](C)N)CC1
InChIInChI=1S/C12H25N3O3S/c1-9(2)8-19(17,18)15-6-4-11(5-7-15)14-12(16)10(3)13/h9-11H,4-8,13H2,1-3H3,(H,14,16)/t10-/m1/s1
InChIKeyJQRSJTHWDYKDBS-SNVBAGLBSA-N
XLogP-0.10
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.42
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-fluoro-2-methyl-N-[1-(2-methylpropylsulfonyl)piperidin-4-yl]propanamide
CID 154751979
2-amino-N-(1-ethylsulfonylpiperidin-4-yl)-3-methylpentanamide
CID 61274117
2-amino-N-[1-(2-methylpropyl)piperidin-4-yl]propanamide
CID 83623800
(2R)-2-amino-4-methyl-N-(1-methylsulfonylpiperidin-4-yl)pentanamide
CID 56865366
2-(1-methoxycyclobutyl)-N-[1-(2-methylpropylsulfonyl)piperidin-4-yl]acetamide
CID 119047962
2-bromo-N-(1-ethylsulfonylpiperidin-4-yl)-3-methylbutanamide
CID 61251555
2-chloro-N-(1-propylsulfonylpiperidin-4-yl)propanamide
CID 43696323
N-[1-(2-chloroethylsulfonyl)piperidin-4-yl]-2-methylpropanamide
CID 107651086
(2S)-2-amino-3,3-dimethyl-N-(1-propylsulfonylpiperidin-4-yl)butanamide
CID 61154783
(2S)-2-amino-N-(1-propylpiperidin-4-yl)propanamide;dihydrochloride
CID 119834930
(2R)-2-amino-N-(1-propylpiperidin-4-yl)propanamide;dihydrochloride
CID 119834920
(2R)-2-amino-N-(1-cyclopentylpiperidin-4-yl)propanamide
CID 119846668

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[1-(2-methylpropylsulfonyl)piperidin-4-yl]propanamide?
The IUPAC name of (2R)-2-amino-N-[1-(2-methylpropylsulfonyl)piperidin-4-yl]propanamide (CID 120874179) is (2R)-2-amino-N-[1-(2-methylpropylsulfonyl)piperidin-4-yl]propanamide.
What is the SMILES notation for (2R)-2-amino-N-[1-(2-methylpropylsulfonyl)piperidin-4-yl]propanamide?
The canonical SMILES for (2R)-2-amino-N-[1-(2-methylpropylsulfonyl)piperidin-4-yl]propanamide is CC(C)CS(=O)(=O)N1CCC(NC(=O)[C@@H](C)N)CC1.
What is the InChIKey of (2R)-2-amino-N-[1-(2-methylpropylsulfonyl)piperidin-4-yl]propanamide?
The InChIKey is JQRSJTHWDYKDBS-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H25N3O3S/c1-9(2)8-19(17,18)15-6-4-11(5-7-15)14-12(16)10(3)13/h9-11H,4-8,13H2,1-3H3,(H,14,16)/t10-/m1/s1.
What are the key properties of (2R)-2-amino-N-[1-(2-methylpropylsulfonyl)piperidin-4-yl]propanamide?
(2R)-2-amino-N-[1-(2-methylpropylsulfonyl)piperidin-4-yl]propanamide has a molecular weight of 291.42 g/mol, XLogP of -0.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[1-(2-methylpropylsulfonyl)piperidin-4-yl]propanamide is sourced from PubChem (CID 120874179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).